Athanor by arbastro
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How to register a compound and its batches

Select the structure and choose Object › Chemistry › Register compound. A new compound gets an ID such as ATH-000001 and this drawing becomes its batch ATH-000001-001.

Steps

  1. Select the structure.

  2. Choose Main menu › Object › Chemistry › Register compound.

  3. Athanor works out the Parent, the Salt form and the Batch, with the InChIKey. A new compound gets the next ID, such as ATH-000001, and this drawing becomes its batch ATH-000001-001.

    Register a compound for aspirin: new compound ATH-000001, its batch ATH-000001-001, and the batch fields.Register a compound for aspirin: new compound ATH-000001, its batch ATH-000001-001, and the batch fields.

  4. Fill in what you know: Name, Date, Amount, Purity, Density for liquids, Supplier or notebook, and Notes.

  5. Press Register.

A component that is not on the salt list is kept as part of the batch, not stripped silently, and the window says so.

Research and lab recordsHow to make a compound tableChoose View › Compound table. Every structure is a row with its formula, MW, HBD, HBA, rotatable bonds, rings, TPSA, Fsp3 and Rule of five violations. Copy as CSV copies it.Compound info and the LibraryThe Compound info panelSelect a structure and press I (or click the Compound info tab beside Properties). The panel says what the structure is, its other names, CAS number and PubChem record, its systematic name, its InChI and SMILES, and calculated properties.

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Last updated Nov 12, 2026